2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid

C14H18FNO3 — CID 64854484

IUPAC2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
SMILESCc1ccc(F)c(OCC(C)(NC2CC2)C(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-9-3-6-11(15)12(7-9)19-8-14(2,13(17)18)16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyJFPHEGSSYXZXFL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.11
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid

2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid (PubChem CID 64854484) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
PubChem CID64854484
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
SMILESCc1ccc(F)c(OCC(C)(NC2CC2)C(=O)O)c1
InChIInChI=1S/C14H18FNO3/c1-9-3-6-11(15)12(7-9)19-8-14(2,13(17)18)16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyJFPHEGSSYXZXFL-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid
CID 64854287
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-(ethylamino)-6-(2-fluoro-5-methylphenoxy)-2-methylhexanoic acid
CID 64854490
2-(cyclopropylamino)-5-(2-fluoro-5-methylphenoxy)-2-methylpentanenitrile
CID 64855633
2-(cyclopropylamino)-3-(2-fluoro-6-nitrophenoxy)-2-methylpropanoic acid
CID 104832328
3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 103012238
3-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63272894
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
3-(4-butylphenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 115493172
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid (CID 64854484) is 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid is Cc1ccc(F)c(OCC(C)(NC2CC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid?
The InChIKey is JFPHEGSSYXZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-3-6-11(15)12(7-9)19-8-14(2,13(17)18)16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid?
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 64854484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).